D483-1396 Screening compound: 2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

D483-1396 Screening compound: 2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
D483-1396 Screening compound: 2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D483-1396
2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D483-1396

Molecular Formula

C24H26N6O2S (C24 H26 N6 O2 S)

Compound Name

2-{[5-({2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-{[5-({28-dimethyl-4-oxo-4H-pyrido[12-a]pyrimidin-3-yl}methyl)-4-methyl-4H-124-triazol-3-yl]sulfanyl}-N-(35-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CSc2nnc(CC3=C(C)N=C(C=C(C)C=C4)N4C3=O)n2C)=O)cc(C)c1

InChI

InChI=1S/C24H26N6O2S/c1-14-6-7-30-20(11-14)25-17(4)19(23(30)32)12-21-27-28-24(29(21)5)33-13-22(31)26-18-9-15(2)8-16(3)10-18/h6-11H,12-13H2,1-5H3,(H,26,31)

InChI Key

OGNYSDNEYYLIAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-2.66

Polar Surface Area

74.074

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D483-1396 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D483-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D483-1396?
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What is the minimum amount of D483-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D483-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D483-1396
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D483-1396 available by request